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PUBCHEM-ZINC05418410

 MMsINC code: MMs03262967
Type: Ionized
Formula: C24H54N2+2
SMILES:   [NH+](C(CCCCCC)C[NH+](CCCC)CCCC)(CCCC)CCCC
InChI:   InChI=1/C24H52N2/c1-6-11-16-17-18-24(26(21-14-9-4)22-15-10-5)23-25(19-12-7-2)20-13-8-3/h24H,6-23H2,1-5H3/p+2/t24-/m1/s1

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Potential Energy
Epot(MMFF94)=57.4868 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.71 g/mol  logS: -6.1042  SlogP: 4.2956  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.195447  Sterimol/B1: 3.03605  Sterimol/B2: 6.21549  Sterimol/B3: 7.33581
  Sterimol/B4: 7.70017  Sterimol/L: 18.176 
 
 Surface and Volume Properties
  Accessible surface: 802.346  Positive charged surface: 651.963  Negative charged surface: 150.382  Volume: 471.375
  Hydrophobic surface: 674.844  Hydrophilic surface: 127.502
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 2
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Parent related molecule:


MMs03262966
PUBCHEM-ZINC05418410